Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2229628
Preview
| Coordinates | 2229628.cif |
|---|---|
| Structure factors | 2229628.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | <i>N</i>,<i>N</i>'-bis(2-pyridyl)oxamide |
|---|---|
| Chemical name | <i>N</i>,<i>N</i>'-bis(pyridin-2-yl)ethanediamide |
| Formula | C12 H10 N4 O2 |
| Calculated formula | C12 H10 N4 O2 |
| SMILES | O=C(C(=O)Nc1ccccn1)Nc1ccccn1 |
| Title of publication | A triclinic polymorph with <i>Z</i> = 3 of <i>N</i>,<i>N</i>'-bis(2-pyridyl)oxamide |
| Authors of publication | Zhang, Wan-Ju; Wang, Fang; Zhang, Gui-Ling; Xiao, Xin |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 4 |
| Pages of publication | o972 - o973 |
| a | 8.459 ± 0.002 Å |
| b | 10.705 ± 0.003 Å |
| c | 11.058 ± 0.003 Å |
| α | 99.555 ± 0.009° |
| β | 101.344 ± 0.008° |
| γ | 112.98 ± 0.008° |
| Cell volume | 870.6 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0506 |
| Residual factor for significantly intense reflections | 0.0444 |
| Weighted residual factors for significantly intense reflections | 0.1182 |
| Weighted residual factors for all reflections included in the refinement | 0.125 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301805 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/22 Each referenced PubChem compound corresponds to the full crystal structure. |
2229628.cif 2229628.hkl |
| 181217 | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/96. |
2229628.cif 2229628.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2229628.cif 2229628.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2229628.cif 2229628.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2229628.cif 2229628.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2229628.cif 2229628.hkl |
| 19531 | 2011-05-17 | hkl/2/ Adding Fobs data for the latest IUCr deposition. |
2229628.cif 2229628.hkl |
| 19087 | 2011-05-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2229628 via cif-deposit CGI script. |
2229628.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.